Geometry & MOs

Info

ID:	140531
PubChem CID:	52716003
Reduced:	N2O5C19H30 (1)
Stoich.:	A2B5C19D30 (1)
Weight, g/mol:	384.010219
ΔH_f, kcal/mol:	-212.32
Dipole, Da:	4.7
IP(EA), eV:	-9.44(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-(2,6-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCCCOCCOC)NC(=O)C1=CC=CC=C1OC

DOS

IR

Vibrations